Zobrazeno 1 - 10
of 22
pro vyhledávání: '"Nuria Aguilar"'
Autor:
Cuesta, Nuria Aguilar, Garcia, Rocio Barros, Ramos, Juan Antonio Tamayo, Martin, Sonia Martel, Arreba, Alfredo Bol, Athilan, Mert, Martinez, Santiago Aparicio
A theoretical study using Density Functional Theory and classical Molecular Dynamics simulations for the study of carbon nanomaterials in archetypical Menthol + Thymol Type V Natural Deep Eutectic Solvent is reported. The nanoscopic structure of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::40a57463ff7e0e96ba500d7dfaf9f35f
https://zenodo.org/record/7740812
https://zenodo.org/record/7740812
Autor:
Nuria Aguilar, Rocío Barros, Juan Antonio Tamayo-Ramos, Sonia Martel, Alfredo Bol, Mert Atilhan, Santiago Aparicio
Publikováno v:
Journal of Molecular Liquids. 368:120637
A theoretical study using Density Functional Theory and classical Molecular Dynamics simulations for the study of carbon nanomaterials in archetypical Menthol + Thymol Type V Natural Deep Eutectic Solvent is reported. The nanoscopic structure of the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::274073411da542d778e5b95e81a6ee8c
https://doi.org/10.1016/j.molliq.2022.120637
https://doi.org/10.1016/j.molliq.2022.120637
Autor:
Santiago Aparicio, Nuria Aguilar
Publikováno v:
The Journal of Physical Chemistry C. 123:26338-26350
The properties of MoS2-based nanomaterials regarding gaseous CO2 are studied using a theoretical approach considering quantum chemistry and classical molecular dynamics methods. Geometries for one-dimensional (nanotubes) and two-dimensional (nanoshee
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::628588b4354a8ea6a0f5b63a065737ab
https://doi.org/10.1021/acs.jpcc.9b07219
https://doi.org/10.1021/acs.jpcc.9b07219
Autor:
Jochen Krüger, Nuria Aguilar
Publikováno v:
Molecules, Vol 7, Iss 6, Pp 469-474 (2002)
The natural dipeptide antibiotic TAN 1057 A,B represents a promising new antibiotic entity. In this communication we report a novel approach for the synthesis of TAN 1057 A,B analogs bearing variations in the β-arginine side chain. This approa
Externí odkaz:
https://doaj.org/article/d5b0a07b50b04fa78ee6da3fa846fdae
Publikováno v:
Applied Surface Science. 534:147611
The properties of single metal atoms adsorbed on MoS2 monolayer surface as well as the behaviour of CO2 molecules on these active sites are studied by using density functional theory methods. Eleven different transition metals (Au, Co, Cr, Cu, Fe, Ir
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::149f724b89cc4e746c99467718bad515
https://doi.org/10.1016/j.apsusc.2020.147611
https://doi.org/10.1016/j.apsusc.2020.147611
Autor:
Nuria Aguilar Barrios
Publikováno v:
LINGUISTIC TOPICS THROUGH FAIRY TALES. VOL. I
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e716733545d3975510a05b8f7fbff781
https://doi.org/10.17993/dideinnedu.2017.28
https://doi.org/10.17993/dideinnedu.2017.28
Autor:
Joan-Carles Fernàndez, Patricia Niño, Marta Caba, Emma Terricabras, Nuria Aguilar, Fernando Albericio
Publikováno v:
ChemInform. 47
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d46be7b986b221c02c1a1db66cca2f0e
https://doi.org/10.1002/chin.201652319
https://doi.org/10.1002/chin.201652319
Discovery of a novel class of zwitterionic, potent, selective and orally active S1P1 direct agonists
Autor:
Gema Tarrasón, Nuria Godessart, Marta Mir, Clara Armengol, Mònica Córdoba, Dolors Vilella, Daniel Casals, Manel López, Victor Segarra, Teresa Doménech, Imma Moreno, M Sabate, Nuria Aguilar, Pedro M. Grima, María Domínguez, Laia Esteban
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 22:7672-7676
Amido-1,3,4-thiadiazoles have been identified as a novel structural class of potent and selective sphingosine-1-phosphate receptor subtype 1 agonists. Starting from a micromolar HTS hit with the help of an in-house homology model, robust structural
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::267ca19860dca563219d7e83fee9d6af
https://doi.org/10.1016/j.bmcl.2012.09.110
https://doi.org/10.1016/j.bmcl.2012.09.110
Autor:
Paul R. Eastwood, Jacob González, Cristina Balagué, Elena Gómez, Francisco Caturla, Josep Aiguadé, Victor G. Matassa, Nuria Aguilar, María Domínguez, Marta Mir, Adelina Orellana
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 21:6253-6257
Crystallographic structural information was used in the design and synthesis of a number of bioisosteric derivatives to replace the amide moiety in a lead series of p38α inhibitors which showed general hydrolytic instability in human liver preparati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ddede93fe6fed0f1a68abe28c418232
https://doi.org/10.1016/j.bmcl.2011.09.006
https://doi.org/10.1016/j.bmcl.2011.09.006
Publikováno v:
Tetrahedron Letters. 40:3913-3916
The totally enantiocontrolled preparation of C 2 -symmetrical and pseudosymmetrical sulfurtethered bis(amino alcohols) from anti -3-amino-1,2-alkane diols is described. The key step in the synthetic procedure involves the use of triphenylsilanethiol
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::87917fecc7841e1aaa8ee2635ed8d507
https://doi.org/10.1016/s0040-4039(99)00568-7
https://doi.org/10.1016/s0040-4039(99)00568-7